3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione

C8H10S3 — CID 59755453

IUPAC3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C8H10S3/c1-2-3-4-5-6(9)8(11)7(5)10/h9H,2-4H2,1H3
InChIKeyGXHHKJYHNGJYLF-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.65
Rot. Bonds3

About 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione

3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione (PubChem CID 59755453) has the molecular formula C8H10S3 and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione.

Molecular Properties

Compound Name3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione
PubChem CID59755453
Molecular FormulaC8H10S3
Molecular Weight202.37 g/mol
Exact Mass201.99
IUPAC Name3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione
SMILESCCCCc1c(S)c(=S)c1=S
InChIInChI=1S/C8H10S3/c1-2-3-4-5-6(9)8(11)7(5)10/h9H,2-4H2,1H3
InChIKeyGXHHKJYHNGJYLF-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The IUPAC name of 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione (CID 59755453) is 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione.
What is the SMILES notation for 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The canonical SMILES for 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione is CCCCc1c(S)c(=S)c1=S.
What is the InChIKey of 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
The InChIKey is GXHHKJYHNGJYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S3/c1-2-3-4-5-6(9)8(11)7(5)10/h9H,2-4H2,1H3.
What are the key properties of 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione?
3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione has a molecular weight of 202.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-sulfanylcyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 59755453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).